Products 3014393-35-9

CAS 3014393-35-9 appears in our catalog under these names: Glucocorticoid receptor agonist–3 Ala–Ala–Mal, Glucocorticoid receptor agonist-3 Ala-Ala-Mal, 99.72%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10 mg, 1 mg, 5 mg.

Glucocorticoid receptor agonist–3 Ala–Ala–Mal
GLPBio
  • size: 1mg
  • Variants: 1
from 2689.22
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Glucocorticoid receptor agonist-3 Ala-Ala-Mal, 99.72%
MedChemExpress
  • size: 10 mg, 1 mg, 5 mg
  • Variants: 3
from 2181.94
View product
Structural formula: {0} (CAS {1})

(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(2S)-1-[3-[[2-fluoro-3-[(1S,2S,4R,6S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]-4-methylphenoxy]methyl]anilino]-1-oxopropan-2-yl]propanamide (CAS 3014393-35-9) is a chemical compound with the molecular formula C49H55FN4O12 and a molecular weight of 911.0 g/mol. IUPAC name: (2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(2S)-1-[3-[[2-fluoro-3-[(1S,2S,4R,6S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]-4-methylphenoxy]methyl]anilino]-1-oxopropan-2-yl]propanamide. InChIKey: BISHTACTVXELTJ-VFAPTOKSSA-N.

Identity
Molecular formulaC49H55FN4O12
Molecular weight911.0 g/mol
IUPAC name(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(2S)-1-[3-[[2-fluoro-3-[(1S,2S,4R,6S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]-4-methylphenoxy]methyl]anilino]-1-oxopropan-2-yl]propanamide
InChIKeyBISHTACTVXELTJ-VFAPTOKSSA-N
SMILESCC1=C(C(=C(C=C1)OCC2=CC(=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN3C(=O)C=CC3=O)F)[C@H]4O[C@@H]5C[C@H]6[C@@H]7CCC8=CC(=O)C=C[C@@]8([C@H]7[C@H](C[C@@]6([C@@]5(O4)C(=O)CO)C)O)C

Computed by PubChem (NCBI)

Synonyms: Glucocorticoid receptor agonist-3 Ala-Ala-Mal, orb2564840
Related forms of this compound
(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(2S)-1-[3-[[2-fluoro-3-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]-4-methylphenoxy]methyl]anilino]-1-oxopropan-2-yl]propanamide C49H55FN4O12